Polarized Raman, FTIR, and DFT study of Na2Ti3O7 microcrystals

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dc.creatorFábio Lacerda Resende e Silva
dc.creatorAdailton Azevedo Araújo Filho
dc.creatorMauricélio Bezerra da Silva
dc.creatorKarla Balzuweit
dc.creatorJean‐Louis Bantignies
dc.creatorEwerton Wagner Santos Caetano
dc.creatorRoberto Luiz Moreira
dc.creatorValder Nogueira Freire
dc.creatorAriete Righi
dc.date.accessioned2023-06-27T19:48:13Z
dc.date.accessioned2025-09-09T00:45:26Z
dc.date.available2023-06-27T19:48:13Z
dc.date.issued2018
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipFINEP - Financiadora de Estudos e Projetos, Financiadora de Estudos e Projetos
dc.identifier.doihttps://doi.org/10.1002/jrs.5316
dc.identifier.issn1097-4555
dc.identifier.urihttps://hdl.handle.net/1843/55439
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of Raman Spectroscopy
dc.rightsAcesso Restrito
dc.subjectEspectroscopia de Raman
dc.subjectMicroscopia eletrônica de varredura
dc.subject.otherDFT calculations
dc.subject.otherInfrared spectra
dc.subject.otherPolarized Raman spectra
dc.subject.otherSodium trititanate
dc.subject.otherSolid‐state synthesis
dc.titlePolarized Raman, FTIR, and DFT study of Na2Ti3O7 microcrystals
dc.typeArtigo de periódico
local.citation.epage548
local.citation.issue3
local.citation.spage538
local.citation.volume49
local.description.resumoSodium trititanate Na2Ti3O7 microcrystals were carefully prepared by sodium carbonate and titanium dioxide solid-state reaction and characterized by scanning and transmission electron microscopies, selected area electron diffraction, X-ray powder diffraction, and Raman and Fourier transform infrared spectroscopies. Electron microscopic techniques revealed that the samples were formed by elongated particles several microns long with broad size distributions. The zone axis and crystal growth direction of the elongated particles were determined by selected area electron diffraction. These results were useful for identifying the symmetries of the optical vibrational modes obtained by infrared absorption and polarized Raman scattering of oriented crystals. For a complete assignment of the depicted phonon modes, Fourier transform infrared spectroscopy and Raman data were compared with theoretical data obtained from first-principles calculations within the framework of the density functional theory. A very nice agreement was established between the characteristic features of measured and calculated vibrational modes. In particular, all optical phonon modes of Na2Ti3O7 could be experimentally observed and assigned to their correct symmetries. These results must be useful for describing the physical behavior of the system and designing new technological applications.
local.identifier.orcidhttps://orcid.org/0000-0001-9719-4734
local.identifier.orcidhttps://orcid.org/0000-0002-8790-3944
local.identifier.orcidhttps://orcid.org/0000-0001-7941-3956
local.identifier.orcidhttps://orcid.org/0000-0001-7124-4545
local.identifier.orcidhttps://orcid.org/0000-0003-0958-5677
local.identifier.orcidhttps://orcid.org/0000-0002-1021-6927
local.identifier.orcidhttps://orcid.org/0000-0001-6820-0269
local.identifier.orcidhttps://orcid.org/0000-0001-7867-3908
local.identifier.orcidhttps://orcid.org/0000-0001-8752-9609
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/jrs.5316

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